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AURORAFEINCHEMIE-ZINC06666475

 MMsINC code: MMs00478850
Type: Neutral
Formula: C24H19N3O4
SMILES:   O=C1N(C(=O)C(C(=O)Nc2ccccc2)C1C(=O)Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H19N3O4/c28-21(25-16-10-4-1-5-11-16)19-20(22(29)26-17-12-6-2-7-13-17)24(31)27(23(19)30)18-14-8-3-9-15-18/h1-15,19-20H,(H,25,28)(H,26,29)/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.4911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.433 g/mol  logS: -5.52295  SlogP: 3.0696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878041  Sterimol/B1: 2.72105  Sterimol/B2: 3.00437  Sterimol/B3: 4.19594
  Sterimol/B4: 11.8301  Sterimol/L: 17.7409 
 
 Surface and Volume Properties
  Accessible surface: 685.73  Positive charged surface: 366.7  Negative charged surface: 319.029  Volume: 381.875
  Hydrophobic surface: 571.752  Hydrophilic surface: 113.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00478851
AURORAFEINCHEMIE-ZINC06666475


MMs00478852
AURORAFEINCHEMIE-ZINC06666475